SCHEMBL469502

SCHEMBL469502

CC(C)(N)CC(C)(C)CN

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
KDM4E B2RXH2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22631753 0.89 CYP2D6 (0.45) CYP2D6KDM4E
SCHEMBL11982030 0.82 CYP2D6 (0.69) CYP2D6KDM4E
SCHEMBL22448783 0.81 CYP2D6 (0.38) CYP2D6
SCHEMBL19228115 0.79 CYP2D6 (0.36) CYP2D6KDM4E
SCHEMBL22448787 0.79 CYP2D6 (0.36) CYP2D6
SCHEMBL3645133 0.79 CYP2D6 (0.77) CYP2D6KDM4E
SCHEMBL22631917 0.78 CYP2D6 (0.35) CYP2D6
SCHEMBL19285969 0.78 CYP2D6 (0.35) CYP2D6
SCHEMBL23544062 0.78 CYP2D6 (0.37) CYP2D6
SCHEMBL8583588 0.76 CYP2D6 (0.60) CYP2D6KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827583-B2 Vegetable oil-based material as a substitute for carnauba wax IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-11-28 US disclosed
EP-4205767-A1 DRUG-LOADED MACROMOLECULE AND PREPARATION METHOD THEREFOR Shanghai Senhui Medicine Co., Ltd. (CN) 2023-07-05 EP disclosed
US-20220220066-A1 NOVEL VEGETABLE OIL-BASED MATERIAL AS A SUBSTITUTE FOR CARNAUBA WAX UNIV IOWA STATE RES FOUND INC (US) 2022-07-14 US disclosed
WO-2021213492-A1 DRUG-CARRYING MACROMOLECULE AND PREPARATION METHOD THEREFOR 上海森辉医药有限公司 (CN) 2021-10-28 WO disclosed
US-11130900-B2 Method for improving cement toughness SAUDI ARABIAN OIL COMPANY (SA) 2021-09-28 US disclosed
US-20210024806-A1 METHOD FOR IMPROVING CEMENT TOUGHNESS ARAMCO SERVICES COMPANY 2021-01-28 US disclosed
US-20200390901-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONOTHIOLATES AND - PHOSPHONATES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2020-12-17 US disclosed
US-10851046-B2 Vegetable oil-based material as a substitute for carnauba wax IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-12-01 US disclosed
US-10836950-B1 Method for improving cement toughness SAUDI ARABIAN OIL COMPANY (SA) 2020-11-17 US disclosed
EP-2052011-B1 TARGETED POLYLYSINE DENDRIMER THERAPEUTIC AGENT STARPHARMA PTY LTD (AU) 2020-11-04 EP disclosed
US-9610322-B2 Macrocyclic insulin-degrading enzyme (IDE) inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-04-04 US disclosed
US-20150368280-A1 HIGH REFRACTIVE INDEX ACRYLIC COMPOUND AND METHOD FOR PREPARING THE SAME SAMSUNG SDI CO., LTD. (KR) 2015-12-24 US disclosed
WO-2012034116-A2 SMALL MOLECULES AS EPIGENETIC MODULATORS OF LYSINE-SPECIFIC DEMETHYLASE 1 AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-15 WO disclosed
US-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2011-02-24 US disclosed
US-20090137550-A1 Novel Compounds GLAXO GROUP LIMITED 2009-05-28 US disclosed
US-20090005401-A1 Novel Compounds GLAXO GROUP LIMITED 2009-01-01 US disclosed
WO-2008145836-A2 CATALYTIC COMPOSITION INCLUDING METAL NANOPARTICLES CONTAINING A NITROGEN LIGAND IN AN IONIC LIQUID, METHOD FOR PREPARING SAME AND METHOD FOR HYDROGENATING AN OLEFINIC LOAD I.F.P. (FR) 2008-12-04 WO disclosed
US-20080175881-A1 Blood-contacting medical devices for the release of nitric oxide and anti-restenotic agents BOSTON SCIENTIFIC SCIMED, INC. 2008-07-24 US disclosed
WO-2007082331-A1 MODIFIED MACROMOLECULE STARPHARMA PTY LIMITED (AU) 2007-07-26 WO disclosed
WO-2007045010-A1 INHIBITORY COMPOUNDS STARPHARMA PTY LIMITED (AU) 2007-04-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200390901-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONOTHIOLATES AND - PHOSPHONATES ACP1, PTMS, ALG1 CYP2D6 4125/4885KDM4E 4051/4885
US-20150368280-A1 HIGH REFRACTIVE INDEX ACRYLIC COMPOUND AND METHOD FOR PREPARING THE SAME RAD51, HRH3, C5 CYP2D6 3199/4885KDM4E 3949/4885
US-11827583-B2 Vegetable oil-based material as a substitute for carnauba wax FASN, C5, ACSL1 CYP2D6 3175/4885KDM4E 3479/4885
US-10851046-B2 Vegetable oil-based material as a substitute for carnauba wax FASN, C5, ACSL1 CYP2D6 3175/4885KDM4E 3479/4885
US-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof NQO2, QTRT1, QTRT2 CYP2D6 639/4885KDM4E 1366/4885
US-20090005401-A1 Novel Compounds MAPKAPK2, CREBBP, MAPK8 CYP2D6 3603/4885KDM4E 3011/4885
US-20220220066-A1 NOVEL VEGETABLE OIL-BASED MATERIAL AS A SUBSTITUTE FOR CARNAUBA WAX FASN, ACSL1, C5 CYP2D6 3613/4885KDM4E 3700/4885
US-20090137550-A1 Novel Compounds MAPKAPK2, CREBBP, MAPK8 CYP2D6 3603/4885KDM4E 3011/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.